N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide

C14H21N3O2 — CID 16779009

IUPACN-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESNCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c15-11-12-2-1-3-13(10-12)16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18)
InChIKeyHLSBQKZCGILRMR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide

N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 16779009) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
PubChem CID16779009
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
SMILESNCc1cccc(NC(=O)CCN2CCOCC2)c1
InChIInChI=1S/C14H21N3O2/c15-11-12-2-1-3-13(10-12)16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18)
InChIKeyHLSBQKZCGILRMR-UHFFFAOYSA-N
XLogP0.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide (CID 16779009) is N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide is NCc1cccc(NC(=O)CCN2CCOCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is HLSBQKZCGILRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-11-12-2-1-3-13(10-12)16-14(18)4-5-17-6-8-19-9-7-17/h1-3,10H,4-9,11,15H2,(H,16,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide?
N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 16779009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).